SCHEMBL8556962

SCHEMBL8556962

O=C(Nc1ccncc1NS(=O)(=O)C(=O)C1CCCC1)C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 3/20 0.45
▸ HDAC1 Q13547 3/20 0.45
▸ HDAC2 Q92769 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PTGS1 P23219 4/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ MAPT P10636 4/20 0.42
▸ GSK3B P49841 4/20 0.42
▸ PTGS2 P35354 3/20 0.41
▸ CETP P11597 1/20 0.41
▸ AAK1 Q2M2I8 1/20 0.40
▸ THRB P10828 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8557169 0.82 HDAC1 (0.44) HDAC3HDAC1HDAC2ALDH1A1GAA
SCHEMBL9257413 0.75 BRS3 (0.52) HDAC3HDAC1HDAC2ALDH1A1MEN1
SCHEMBL30785575 0.75 GAA (0.55) HDAC3HDAC1HDAC2GAAKMT2A
SCHEMBL16568954 0.74 KMT2A (0.54) HDAC3HDAC1HDAC2ALDH1A1GAA
SCHEMBL20160888 0.74 GSK3B (0.60) HDAC3HDAC1HDAC2MEN1GAA
Hydrochloric Acid SCHEMBL18208874 0.73 GSK3B (0.59) HDAC3HDAC1HDAC2MEN1GAA
SCHEMBL29856319 0.72 MAPT (0.62) HDAC3HDAC1HDAC2ALDH1A1GAA
SCHEMBL16703189 0.70 GSK3B (0.53) HDAC3HDAC1HDAC2MAPTGSK3B
SCHEMBL14782130 0.69 HDAC3 (0.53) HDAC3HDAC1HDAC2GSK3B
SCHEMBL29856133 0.69 GSK3B (0.68) MAPTGSK3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0618209-B1 Pyridothiadiazines, processes for their preparation and pharmaceutical compositions containing them ADIR (FR) 1998-12-23 — — EP disclosed
EP-0618209-A1 Pyridothiadiazines, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-10-05 — — EP disclosed
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